| CAS Number | 1227154-43-9 |
| Catalog Number | AG009YWI(AGN-PC-0WP1QA) |
| Chemical Name | Methyl 3-(-N'-hydroxycarbamimidoyl)benzoate |
| IUPAC Name | methyl 3-(N'-hydroxycarbamimidoyl)benzoate |
| InChI | InChI=1S/C9H10N2O3/c1-14-9(12)7-4-2-3-6(5-7)8(10)11-13/h2-5,13H,1H3,(H2,10,11) |
| InChI Key | BELBATQPRYKIIA-UHFFFAOYSA-N |
| MDL Number | MFCD20501949 |
| Molecular Formula | C9H10N2O3 |
| Molecular Weight | 194.1873 |
| SMILES | COC(=O)c1cccc(c1)/C(=N/O)/N |
| Synonyms | Methyl 3-(N'-hydroxycarbamimidoyl)benzoate,
1227154-43-9,
(Z)-Methyl 3-(N'-hydroxycarbamimidoyl)benzoate,
3-(N-Hydroxycarbamimidoyl)-benzoic acid methyl ester,
AC1N81FI,
BELBATQPRYKIIA-UHFFFAOYSA-N,
methyl 3-[amino(hydroxyimino)methyl]benzoate,
methyl 3-[(E)-amino(hydroxyimino)methyl]benzoate,
3-(N-hydroxycarbamimidoyl)benzoic acid methyl ester,
CID4288293,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.19g/mol |
| Monoisotopic Mass | 194.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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